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6I3D
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BU of 6i3d by Molmil
Crystal structure of Human soluble catechol O-methyltransferase in complex with 3,5-dinitrocatechol and Sinefungin
Descriptor: 3,5-DINITROCATECHOL, Catechol O-methyltransferase, MAGNESIUM ION, ...
Authors:Levy, C.W.
Deposit date:2018-11-05
Release date:2019-09-18
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Equatorial Active Site Compaction and Electrostatic Reorganization in Catechol-O-methyltransferase.
Acs Catalysis, 9, 2019
5M1G
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BU of 5m1g by Molmil
Structure of a Spumaretrovirus Gag central domain reveals an ancient retroviral capsid
Descriptor: Gag protein
Authors:Nicastro, G, Ball, N, Taylor, I.A.
Deposit date:2016-10-07
Release date:2016-10-26
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Structure of a Spumaretrovirus Gag Central Domain Reveals an Ancient Retroviral Capsid.
Plos Pathog., 12, 2016
1TJX
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BU of 1tjx by Molmil
Crystallographic Identification of Ca2+ Coordination Sites in Synaptotagmin I C2B Domain
Descriptor: ACETATE ION, CALCIUM ION, GLYCEROL, ...
Authors:Cheng, Y, Sequeira, S.M, Malinina, L, Tereshko, V, Sollner, T.H, Patel, D.J.
Deposit date:2004-06-07
Release date:2004-11-23
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.04 Å)
Cite:Crystallographic identification of Ca2+ and Sr2+ coordination sites in synaptotagmin I C2B domain.
Protein Sci., 13, 2004
5XGA
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BU of 5xga by Molmil
Crystal structure of the EnvZ periplasmic domain with CHAPS
Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, ACETIC ACID, Osmolarity sensor protein EnvZ
Authors:Hwang, E, Cheong, H.K, Jeon, Y.H, Cheong, C.
Deposit date:2017-04-13
Release date:2017-07-19
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Crystal structure of the EnvZ periplasmic domain with CHAPS.
FEBS Lett., 591, 2017
5N9Q
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BU of 5n9q by Molmil
Structure of A. thaliana RCD1(468-567)
Descriptor: Inactive poly [ADP-ribose] polymerase RCD1
Authors:Tossavainen, H, Hellman, M, Vainonen, J, Kangasjarvi, J, Permi, P.
Deposit date:2017-02-27
Release date:2018-03-14
Last modified:2024-06-19
Method:SOLUTION NMR
Cite:Arabidopsis RCD1 coordinates chloroplast and mitochondrial functions through interaction with ANAC transcription factors.
Elife, 8, 2019
5ND8
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BU of 5nd8 by Molmil
Hibernating ribosome from Staphylococcus aureus (Unrotated state)
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Khusainov, I, Vicens, Q, Ayupov, R, Usachev, K, Myasnikov, A, Simonetti, A, Validov, S, Kieffer, B, Yusupova, G, Yusupov, M, Hashem, Y.
Deposit date:2017-03-07
Release date:2017-06-28
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structures and dynamics of hibernating ribosomes from Staphylococcus aureus mediated by intermolecular interactions of HPF.
EMBO J., 36, 2017
5NJ2
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BU of 5nj2 by Molmil
Crystal structure of BlaC from Mycobacterium tuberculosis bound to phosphate
Descriptor: 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, 3,6,9,12,15-PENTAOXAHEPTADECAN-1-OL, ACETATE ION, ...
Authors:Tassoni, R, Pannu, N.S, Ubbink, M.
Deposit date:2017-03-27
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Phosphate Promotes the Recovery of Mycobacterium tuberculosis beta-Lactamase from Clavulanic Acid Inhibition.
Biochemistry, 56, 2017
5XQK
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BU of 5xqk by Molmil
Crystal Structure of Transketolase in complex with xylulose-5-phosphate from Pichia Stipitis
Descriptor: 2-C-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thia zol-3-ium-2-yl}-5-O-phosphono-D-xylitol, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-07
Release date:2018-06-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5ZKL
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BU of 5zkl by Molmil
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA dT12
Descriptor: DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), SP_0782
Authors:Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
Deposit date:2018-03-24
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.951 Å)
Cite:Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
5MGK
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BU of 5mgk by Molmil
Crystal Structure of BAZ2A bromodomain in complex with 4-propionyl-pyrrole derivative 2
Descriptor: Bromodomain adjacent to zinc finger domain protein 2A, methyl 4-propanoyl-1~{H}-pyrrole-2-carboxylate
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.301 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
6KH9
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BU of 6kh9 by Molmil
Solution structure of bovine insulin amyloid intermediate-1
Descriptor: Insulin A chain, Insulin B chain
Authors:Ratha, B.N, Kar, R.K, Brender, J.B, Bhunia, A.
Deposit date:2019-07-14
Release date:2020-08-12
Last modified:2020-11-18
Method:SOLUTION NMR
Cite:High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
6KH8
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BU of 6kh8 by Molmil
Solution structure of Zn free Bovine Pancreatic Insulin in 20% acetic acid-d4 (pH 1.9)
Descriptor: Insulin A Chain, Insulin B chain
Authors:Bhunia, A, Ratha, B.N, Kar, R.K, Brender, J.R.
Deposit date:2019-07-14
Release date:2020-10-07
Last modified:2020-11-18
Method:SOLUTION NMR
Cite:High-resolution structure of a partially folded insulin aggregation intermediate.
Proteins, 88, 2020
5YUM
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BU of 5yum by Molmil
Crystallographic structures of IlvN.Val/Ile complexes:Conformational selectivity for feedback inhibition of AHASs
Descriptor: Acetolactate synthase isozyme 1 small subunit, COBALT (II) ION, ISOLEUCINE
Authors:Sarma, S.P, Bansal, A, Schindelin, H, Demeler, B.
Deposit date:2017-11-22
Release date:2018-09-19
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.432 Å)
Cite:Crystallographic Structures of IlvN·Val/Ile Complexes: Conformational Selectivity for Feedback Inhibition of Aceto Hydroxy Acid Synthases.
Biochemistry, 58, 2019
5YVI
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BU of 5yvi by Molmil
Crystal structure of Karyopherin beta2 in complex with FUS(456-526)
Descriptor: RNA-binding protein FUS, Transportin-1
Authors:Yoshizawa, T, Fung, H.Y.J, Chook, Y.M.
Deposit date:2017-11-25
Release date:2018-05-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Nuclear Import Receptor Inhibits Phase Separation of FUS through Binding to Multiple Sites.
Cell, 173, 2018
5ZKM
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BU of 5zkm by Molmil
Crystal structure of Streptococcus pneumoniae SP_0782 (residues 7-79) in complex with single-stranded DNA TCTTCC
Descriptor: DNA (5'-D(P*TP*CP*TP*TP*CP*C)-3'), SP_0782
Authors:Lu, G, Li, S, Zhu, J, Yang, Y, Gong, P.
Deposit date:2018-03-24
Release date:2019-03-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structural insight into the length-dependent binding of ssDNA by SP_0782 from Streptococcus pneumoniae, reveals a divergence in the DNA-binding interface of PC4-like proteins.
Nucleic Acids Res., 48, 2020
5MLL
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BU of 5mll by Molmil
Structure of HpDprA at 1.9 Angstroms resolution
Descriptor: 1,2-ETHANEDIOL, DNA processing chain A (DprA)
Authors:Lisboa, J, Quevillon-Cheruel, S.
Deposit date:2016-12-07
Release date:2017-12-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:The C-terminal domain of HpDprA is a DNA-binding Winged Helix domain that does not bind double-stranded DNA.
FEBS J., 2019
5M7F
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BU of 5m7f by Molmil
Human porphobilinogen deaminase in complex with DPM cofactor
Descriptor: 3-[5-{[3-(2-carboxyethyl)-4-(carboxymethyl)-5-methyl-1H-pyrrol-2-yl]methyl}-4-(carboxymethyl)-1H-pyrrol-3-yl]propanoic acid, Porphobilinogen deaminase, SULFATE ION
Authors:Pluta, P, Millet, O, Roversi, P, Rojas, A.L, Gu, S.
Deposit date:2016-10-27
Release date:2017-11-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.78 Å)
Cite:Structural basis of pyrrole polymerization in human porphobilinogen deaminase.
Biochim Biophys Acta Gen Subj, 1862, 2018
5MGM
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BU of 5mgm by Molmil
Crystal Structure of BAZ2A bromodomain in complex with acetophenone derivative 4
Descriptor: 1-(3-pyrimidin-2-yloxyphenyl)ethanone, Bromodomain adjacent to zinc finger domain protein 2A
Authors:Lolli, G, Spiliotopoulos, D, Caflisch, A.
Deposit date:2016-11-21
Release date:2017-04-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Discovery of BAZ2A bromodomain ligands.
Eur J Med Chem, 139, 2017
6I6T
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BU of 6i6t by Molmil
SEPIAPTERIN REDUCTASE IN COMPLEX WITH COMPOUND 5
Descriptor: 1,2-ETHANEDIOL, 4-bromanyl-1-oxidanyl-naphthalene-2-carboxylic acid, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Alen, J, Schade, M, Wagener, M, Blaesse, M.
Deposit date:2018-11-15
Release date:2019-07-10
Last modified:2024-05-15
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fragment-Based Discovery of Novel Potent Sepiapterin Reductase Inhibitors.
J.Med.Chem., 62, 2019
5XTX
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BU of 5xtx by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate VII from Pichia Stipitis
Descriptor: 2-[3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methylidene-2-[(2S,3S,4R,5R)-1,2,3,4,5-pentakis(oxidanyl)-6-phosphonooxy-hexan-2-yl]-1,3-thiazolidin-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-21
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.049 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
6IYA
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BU of 6iya by Molmil
Structure of the DNA binding domain of antitoxin CopASO
Descriptor: Transcriptional regulator CopG family
Authors:Zhao, R, Li, F, Liu, L, Zhang, X.
Deposit date:2018-12-14
Release date:2019-01-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structure and allosteric coupling of type II antitoxin CopASO.
Biochem.Biophys.Res.Commun., 514, 2019
6J37
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BU of 6j37 by Molmil
DNA minidumbbell structure of two CTTG repeats
Descriptor: DNA (5'-D(*CP*TP*TP*GP*CP*TP*TP*G)-3'), SODIUM ION
Authors:Lam, S.L, Guo, P.
Deposit date:2019-01-04
Release date:2019-05-29
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Unprecedented hydrophobic stabilizations from a reverse wobble T·T mispair in DNA minidumbbell.
J.Biomol.Struct.Dyn., 38, 2020
5XO3
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BU of 5xo3 by Molmil
Thanatin M21F Free
Descriptor: Thanatin
Authors:Sinha, S, Bhattacharjya, S.
Deposit date:2017-05-26
Release date:2018-06-27
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Thanatin M21F Free
To Be Published
5XU9
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BU of 5xu9 by Molmil
Crystal Structure of Transketolase in complex with TPP intermediate IX and gauche form erythrose-4-phosphate from Pichia Stipitis
Descriptor: 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-2-[1,2-bis(oxidanyl)ethylidene]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Li, T.L, Hsu, N.S, Wang, Y.L.
Deposit date:2017-06-22
Release date:2018-06-27
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.166 Å)
Cite:Evidence of Diradicals Involved in the Yeast Transketolase Catalyzed Keto-Transferring Reactions.
Chembiochem, 19, 2018
5LT8
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BU of 5lt8 by Molmil
Structure of the Epigenetic Oncogene MMSET and inhibition by N-Alkyl Sinefungin Derivatives
Descriptor: Histone-lysine N-methyltransferase SETD2, SINEFUNGIN, ZINC ION
Authors:Tisi, D, Pathuri, P, Heightman, T.
Deposit date:2016-09-06
Release date:2016-10-05
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.57 Å)
Cite:Structure of the Epigenetic Oncogene MMSET and Inhibition by N-Alkyl Sinefungin Derivatives.
ACS Chem. Biol., 11, 2016

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数据于2024-07-17公开中

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